4-(5-Cyano-1H-1,2,3-triazol-4-yl)phenyl 3,5-dimethylisoxazole-4-carboxylate

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Systematic / IUPAC Name: 4-(5-Cyano-2H-1,2,3-triazol-4-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

ID: Reference4142

Other Names: 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 4-(5-cyano-2H-1,2,3-triazol-4-yl)phenyl ester

Formula: C15H11N5O3

Spectral Data

4-(5-Cyano-1H-1,2,3-triazol-4-yl)phenyl 3,5-dimethylisoxazole-4-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 211
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2016 12:04:32 PM
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Identificators

InChI InChI=1S/C15H11N5O3/c1-8-13(9(2)23-19-8)15(21)22-11-5-3-10(4-6-11)14-12(7-16)17-20-18-14/h3-6H,1-2H3,(H,17,18,20)
InChI Key CNXCQNNJQJMYQB-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C)C(=O)OC2=CC=C(C=C2)C3=NNN=C3C#N
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Other Names 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 4-(5-cyano-2H-1,2,3-triazol-4-yl)phenyl ester

In Other Databases

PubChem 6409694
ChemSpider 4917809